1-butanoyl-4,5-dimethyl-1-[4-[[(4-methyl-3-nitro-pyridin-2-yl)amino]methyl]phenyl]pyrrol-1-ium-2-carbonitrile

Systemtic Name: 1-butanoyl-4,5-dimethyl-1-[4-[[(4-methyl-3-nitro-pyridin-2-yl)amino]methyl]phenyl]pyrrol-1-ium-2-carbonitrile Openeye Name: 1-butanoyl-4,5-dimethyl-1-[4-[[(4-methyl-3-nitro-2-pyridyl)amino]methyl]phenyl]pyrrol-1-ium-2-carbonitrile CAS Name: 4,5-dimethyl-1-[4-[[(4-methyl-3-nitro-2-pyridinyl)amino]methyl]phenyl]-1-(1-oxobutyl)-2-pyrrol-1-iumcarbonitrile IUPAC Name: 1-butanoyl-4,5-dimethyl-1-[4-[[(4-methyl-3-nitropyridin-2-yl)amino]methyl]phenyl]pyrrol-1-ium-2-carbonitrile Traditional Name: 1-butyryl-4,5-dimethyl-1-[4-[[(4-methyl-3-nitro-2-pyridyl)amino]methyl]phenyl]pyrrol-1-ium-2-carbonitrile Formula: C24H26N5O3+ MolecularWeight: 432.49494

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)[N+]1(C(=C(C=C1C#N)C)C)C2=CC=C(C=C2)CNC3=NC=CC(=C3[N+](=O)[O-])C

Isomeric SMILES

CCCC(=O)[N+]1(C(=C(C=C1C#N)C)C)C2=CC=C(C=C2)CNC3=NC=CC(=C3[N+](=O)[O-])C

InChI

InChI=1S/C24H26N5O3/c1-5-6-22(30)29(18(4)17(3)13-21(29)14-25)20-9-7-19(8-10-20)15-27-24-23(28(31)32)16(2)11-12-26-24/h7-13H,5-6,15H2,1-4H3,(H,26,27)/q+1